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"structure_string": "H20 C32\n1.0\n8.115988 0.000000 -1.804878\n0.000000 3.804276 0.000000\n-0.045200 0.000000 15.266099\nH C\n20 32\ndirect\n0.498688 0.939374 0.704351 H\n0.484303 0.289075 0.055043 H\n0.515697 0.710926 0.944957 H\n0.484303 0.210925 0.555043 H\n0.322910 0.130388 0.902647 H\n0.677090 0.869613 0.097353 H\n0.677090 0.630388 0.597353 H\n0.322910 0.369613 0.402647 H\n0.943603 0.895289 0.206907 H\n0.056397 0.104712 0.793093 H\n0.515697 0.789076 0.444957 H\n0.943603 0.604713 0.706907 H\n0.245103 0.790988 0.245763 H\n0.754898 0.209013 0.754237 H\n0.754898 0.290988 0.254237 H\n0.245103 0.709013 0.745763 H\n0.498688 0.560627 0.204351 H\n0.501313 0.439374 0.795648 H\n0.501313 0.060627 0.295648 H\n0.056397 0.395288 0.293093 H\n0.789153 0.730417 0.579568 C\n0.789153 0.769585 0.079568 C\n0.210847 0.230416 0.920432 C\n0.222756 0.125217 0.508418 C\n0.777244 0.874784 0.491582 C\n0.777244 0.625218 0.991582 C\n0.372668 0.392576 0.072314 C\n0.372668 0.107424 0.572314 C\n0.627333 0.892577 0.427686 C\n0.627333 0.607425 0.927686 C\n0.076769 0.992779 0.531665 C\n0.923231 0.007222 0.468334 C\n0.210847 0.269584 0.420432 C\n0.222756 0.374783 0.008418 C\n0.936496 0.783502 0.140275 C\n0.761569 0.171022 0.320162 C\n0.063504 0.283501 0.359725 C\n0.936496 0.716500 0.640275 C\n0.085119 0.654840 0.118631 C\n0.914882 0.345161 0.881369 C\n0.914882 0.154840 0.381369 C\n0.085119 0.845161 0.618631 C\n0.238432 0.671022 0.179838 C\n0.761569 0.328979 0.820162 C\n0.923231 0.492778 0.968334 C\n0.238431 0.828979 0.679838 C\n0.380201 0.542001 0.156450 C\n0.619799 0.458000 0.843550 C\n0.619799 0.042000 0.343550 C\n0.380201 0.958001 0.656450 C\n0.063504 0.216499 0.859725 C\n0.076769 0.507223 0.031665 C\n",
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"elements": [
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"chemical_system": "C-H",
"density": 1.4259801337822553,
"density_atomic": 0.11039461951102658,
"volume": 471.03744938226873,
"volume_molar": 5.455103506560379,
"formula_full": "H20 C32",
"formula_reduced": "H5C8",
"formula_anonymous": "A5B8",
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},
{
"id": "jvasp-12421",
"created_at": "2022-09-04T14:37:11.413010Z",
"updated_at": "2022-09-04T14:37:11.413030Z",
"structure_string": "Rb6 In2 S6\n1.0\n7.849482 0.017689 -0.857857\n-1.236694 7.373170 -3.164826\n0.012967 0.034007 8.118365\nRb In S\n6 2 6\ndirect\n0.000000 0.253611 0.746390 Rb\n0.500000 0.323839 0.676161 Rb\n0.353313 0.111586 0.111586 Rb\n0.500000 0.676161 0.323839 Rb\n0.000001 0.746390 0.253610 Rb\n0.646688 0.888415 0.888415 Rb\n0.148366 0.678191 0.678191 In\n0.851635 0.321809 0.321809 In\n0.722075 0.047949 0.347995 S\n0.819890 0.600890 0.600890 S\n0.180110 0.399110 0.399110 S\n0.277926 0.952052 0.652005 S\n0.277926 0.652006 0.952052 S\n0.722075 0.347995 0.047948 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "In-Rb-S",
"density": 3.2958465442531217,
"density_atomic": 0.02972432348072864,
"volume": 470.99473968101273,
"volume_molar": 20.25997585413297,
"formula_full": "Rb6 In2 S6",
"formula_reduced": "Rb3InS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2217628528571429,
"spacegroup": 12
}
]
}